ChemSpider 2D Image | 3,5-Difluoro-N-[(2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzamide | C20H21F2N3O

3,5-Difluoro-N-[(2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzamide

  • Molecular FormulaC20H21F2N3O
  • Average mass357.397 Da
  • Monoisotopic mass357.165283 Da
  • ChemSpider ID64854596

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1196701-27-5 [RN]
3,5-Difluor-N-[(2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzamid [German] [ACD/IUPAC Name]
3,5-Difluoro-N-[(2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzamide [ACD/IUPAC Name]
3,5-Difluoro-N-[(2S,3R)-2-(3-pyridinylméthyl)-1-azabicyclo[2.2.2]oct-3-yl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3,5-difluoro-N-[(2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]- [ACD/Index Name]
Tc-6987

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Q2U4R164OG [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 485.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.6±28.7 °C
Index of Refraction: 1.606
Molar Refractivity: 94.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 11.74
Polar Surface Area: 45 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 274.5±5.0 cm3

Click to predict properties on the Chemicalize site


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